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Information card for entry 4502716
Preview
| Coordinates | 4502716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C44 H26 Cl6 N12 |
|---|---|
| Calculated formula | C44 H26 Cl6 N12 |
| SMILES | ClC(Cl)Cl.ClC(Cl)Cl.n1c2c(nc(c1c1ncccc1)c1ncccc1)c1nc(c(nc1c1nc(c(nc21)c1ncccc1)c1ncccc1)c1ncccc1)c1ncccc1 |
| Title of publication | Construction of microbelts through the coassembly of a disclike molecule and primary alkyl ammoniums: a noncovalent strategy to mimic covalently bonded pi-core alkyl chain structure. |
| Authors of publication | Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting |
| Journal of publication | Langmuir : the ACS journal of surfaces and colloids |
| Year of publication | 2010 |
| Journal volume | 26 |
| Journal issue | 16 |
| Pages of publication | 13048 - 13051 |
| a | 11.7909 ± 0.001 Å |
| b | 16.07 ± 0.0014 Å |
| c | 22.9043 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4339.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0989 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.1664 |
| Weighted residual factors for all reflections included in the refinement | 0.1797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4502716.cif |
| 179558 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/27. |
4502716.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502716.cif |
| 36716 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502716, 4502717 via cif-deposit CGI script. |
4502716.cif |
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Users of the data should acknowledge the original authors of the
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